E157-6654 Screening compound: N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-(4-fluorophenoxy)acetamide

E157-6654 Screening compound: N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-(4-fluorophenoxy)acetamide
E157-6654 Screening compound: N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-(4-fluorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-6654
N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-(4-fluorophenoxy)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E157-6654

Molecular Formula

C19H19FN4O5S2 (C19 H19 FN4 O5 S2)

Compound Name

N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-(4-fluorophenoxy)acetamide

IUPAC name

N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-134-thiadiazol-2-yl}-2-(4-fluorophenoxy)acetamide

SMILES

CCN(c(cc1)ccc1OC)S(c1nnc(NC(COc(cc2)ccc2F)=O)s1)(=O)=O

InChI

InChI=1S/C19H19FN4O5S2/c1-3-24(14-6-10-15(28-2)11-7-14)31(26,27)19-23-22-18(30-19)21-17(25)12-29-16-8-4-13(20)5-9-16/h4-11H,3,12H2,1-2H3,(H,21,22,25)

InChI Key

SZBSVAUOPCLQLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.406

Water Solubility, LogSw

-3.85

Polar Surface Area

93.029

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E157-6654 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E157-6654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-6654?
Check Price and Availability of E157-6654, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E157-6654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-6654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-6654
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E157-6654 available by request